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L-Asparagine-[13C4] monohydrate

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General Information
Catalog: BLP-000697
CAS: 286460-82-0
Molecular Formula: [13C]4H8N2O3.H2O
Molecular Weight: 154.10

Chemical Structure

Description	L-Asparagine-[13C4] monohydrate is the labelled analogue of L-Asparagine monohydrate. Asparagine (abbreviated as Asn or N) is one of the 20 most-common natural amino acids on Earth. A reaction between asparagine and reducing sugars or other source of carbonyls produces acrylamide in food when heated to sufficient temperature. These products occur in baked goods such as French fries, potato chips, and toasted bread.
Synonyms	(S)-2-Aminosuccinic acid 4-amide-13C4 monohydrate; (S)-2-Aminosuccinic acid 4-amide-13C4 monohydrate; L-Aspartic acid 4-amide-13C4 monohydrate; 13C labelled asparagine; L-Asparagine-13C4 monohydrate
IUPAC Name	(2S)-2,4-diamino-4-oxo(1,2,3,4-13C4)butanoic acid;hydrate
Related CAS	5794-13-8 (unlabelled) 70-47-3 (unlabelled anhydrous)
Canonical SMILES	C(C(C(=O)O)N)C(=O)N.O
InChI	InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i1+1,2+1,3+1,4+1;
InChI Key	RBMGJIZCEWRQES-KFYBRNFPSA-N
Melting Point	233-235 °C
Purity	95% (CP); 98% atom 13C